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CAS 59742-51-7

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Pentanoic acid, 2,4-dimethyl-3-oxo-, methyl ester

Description:
Pentanoic acid, 2,4-dimethyl-3-oxo-, methyl ester, also known by its CAS number 59742-51-7, is an organic compound characterized by its ester functional group derived from pentanoic acid. This compound features a five-carbon chain with a methyl ester group, contributing to its solubility in organic solvents. The presence of the 2,4-dimethyl substituents and a keto group at the 3-position introduces additional complexity to its structure, influencing its reactivity and physical properties. Typically, esters like this one exhibit pleasant, fruity odors and are often used in flavoring and fragrance applications. The compound is likely to be a liquid at room temperature, with moderate volatility and a relatively low boiling point compared to larger esters. Its chemical behavior may include typical ester reactions such as hydrolysis and transesterification. Additionally, the presence of the keto group suggests potential reactivity in condensation reactions. Safety data should be consulted for handling, as with all chemical substances, to ensure proper precautions are taken.
Formula:C8H14O3
InChI:InChI=1S/C8H14O3/c1-5(2)7(9)6(3)8(10)11-4/h5-6H,1-4H3
InChI key:InChIKey=GCXQFZHZPBLGKA-UHFFFAOYSA-N
SMILES:C(C(C(C)C)=O)(C(OC)=O)C
Synonyms:
  • Pentanoic acid, 2,4-dimethyl-3-oxo-, methyl ester
  • Methyl 2,4-dimethyl-3-oxopentanoate
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